Reza Azin

Molecular simulation of particles aggregation is a time-intensive computation. In this study, we have developed a computational methodology to simulate the aggregation and fragmentation of particles. Scaling relations are developed that can be used to decrease the number of primary particles towards minimization of the computation time. The developed methodology is applied to reproduce the experimental data of particles aggregation and fragmentation. Results show the capability of the proposed methodology to represent the experimental data. Then, the model is applied to predict the onset of precipitation, the amount of precipitated particles, and their particles size distribution. The simulation results are in agreement with the experimental data. The proposed simulation methodology and the scaling relations find applications in simulation of particles aggregation and fragmentation.